phenethyl 4-methyl-3-oxidanyl-benzenesulfonate

Systemtic Name: phenethyl 4-methyl-3-oxidanyl-benzenesulfonate Openeye Name: phenethyl 3-hydroxy-4-methyl-benzenesulfonate CAS Name: 3-hydroxy-4-methylbenzenesulfonic acid phenethyl ester IUPAC Name: phenethyl 3-hydroxy-4-methylbenzenesulfonate Traditional Name: 3-hydroxy-4-methyl-benzenesulfonic acid phenethyl ester Formula: C15H16O4S MolecularWeight: 292.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C2)O

InChI

InChI=1S/C15H16O4S/c1-12-7-8-14(11-15(12)16)20(17,18)19-10-9-13-5-3-2-4-6-13/h2-8,11,16H,9-10H2,1H3